CID 6489229

N-benzylpiperazine-1-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CN(CCN1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,16)
InChIKey
YBTIOCICPPSYEP-UHFFFAOYSA-N
Compound name
N-benzylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

42
Patents

219.13716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.9
[M+Na]+ 242.12638 162.4
[M+NH4]+ 237.17098 159.1
[M+K]+ 258.10032 156.1
[M-H]- 218.12988 154.5
[M+Na-2H]- 240.11183 158.6
[M]+ 219.13661 153.7
[M]- 219.13771 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe